SCHEMBL4444305

SCHEMBL4444305

O=C1NC(c2cccc(OCc3ccccc3)c2)CN1c1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.47
TNKS2 Q9H2K2 1/20 0.47
GRIN1 Q05586 3/20 0.45
GRM2 Q14416 1/20 0.43
GRM5 P41594 1/20 0.43
NR4A2 P43354 1/20 0.43
ALOX5 P09917 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
MCHR1 Q99705 1/20 0.42
HPD P32754 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4434058 0.96 KCNH2 (0.45) KCNH2TNKS2GRIN1GRM2GRM5
SCHEMBL8789320 0.81 GRM2 (0.43) GRM2KMT2A
SCHEMBL4447182 0.77 PRKCZ (0.39) GRM2NPC1RAB9AKMT2A
SCHEMBL3591294 0.77 TNKS2 (0.45) KCNH2TNKS2GRIN1GRM5NR4A2
SCHEMBL3591845 0.73 TNKS2 (0.42) KCNH2TNKS2GRIN1GRM5NR4A2
SCHEMBL4439973 0.73 PBRM1 (0.44) GRM2KMT2A
SCHEMBL4437663 0.72 SCN9A (0.42) GRM2KMT2AMCHR1
SCHEMBL4439090 0.72 SCN9A (0.42) GRM2KMT2AMCHR1
SCHEMBL4439837 0.72 SCN9A (0.42) GRM2KMT2AMCHR1
SCHEMBL28843263 0.71 MEN1 (0.45) GRM2ALOX5NPC1RAB9AKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121598-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-11-25 EP claimed
WO-2008076754-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-06-26 WO claimed
EP-2121598-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-11-25 EP disclosed
WO-2008076754-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-06-26 WO disclosed